4-[(Trimethylsilyl)ethynyl]benzoic acid - CAS 16116-80-6
Catalog: |
BB011711 |
Product Name: |
4-[(Trimethylsilyl)ethynyl]benzoic acid |
CAS: |
16116-80-6 |
Synonyms: |
4-(2-trimethylsilylethynyl)benzoic acid |
IUPAC Name: | 4-(2-trimethylsilylethynyl)benzoic acid |
Description: | 4-[(Trimethylsilyl)ethynyl]benzoic acid (CAS# 16116-80-6) is a useful research chemical. |
Molecular Weight: | 218.32 |
Molecular Formula: | C12H14O2Si |
Canonical SMILES: | C[Si](C)(C)C#CC1=CC=C(C=C1)C(=O)O |
InChI: | InChI=1S/C12H14O2Si/c1-15(2,3)9-8-10-4-6-11(7-5-10)12(13)14/h4-7H,1-3H3,(H,13,14) |
InChI Key: | GUFYYXWHDBOLBG-UHFFFAOYSA-N |
Boiling Point: | 299.3 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.08 g/cm3 |
MDL: | MFCD06203324 |
LogP: | 2.61370 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.076306220 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.076306220 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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